29 #ifndef CDPL_CHEM_REACTIONROLE_HPP
30 #define CDPL_CHEM_REACTIONROLE_HPP
43 namespace ReactionRole
49 constexpr
unsigned int NONE = 0x0;
59 constexpr
unsigned int AGENT = 0x2;
constexpr unsigned int NONE
Specifies that a molecule is not a reaction component.
Definition: ReactionRole.hpp:49
constexpr unsigned int CATALYST
Equivalent to ReactionRole::AGENT.
Definition: ReactionRole.hpp:64
constexpr unsigned int PRODUCT
Specifies the products of a reaction.
Definition: ReactionRole.hpp:69
constexpr unsigned int AGENT
Specifies the agents of a reaction (e.g. solvent or catalyst).
Definition: ReactionRole.hpp:59
constexpr unsigned int ALL
Specifies reactants, agents and products of a reaction.
Definition: ReactionRole.hpp:74
constexpr unsigned int REACTANT
Specifies the reactants of a reaction.
Definition: ReactionRole.hpp:54
The namespace of the Chemical Data Processing Library.